Ethanol → 4-Amino-1-[4-(3,4-dichlorophenoxy)piperidin-1-yl]butan-2-ol
반응식
[CH3:32][CH2:33][OH:34].[Cl:1][c:2]1[cH:3][c:4]([O:5][CH:6]2[CH2:7][CH2:8][N:9]([CH2:12][CH:13]([CH2:14][CH2:15][N:16]3[C:17](=[O:18])[c:19]4[c:20]([cH:21][cH:22][cH:23][cH:24]4)[C:25]3=[O:26])[OH:27])[CH2:10][CH2:11]2)[cH:28][cH:29][c:30]1[Cl:31].[NH2:35][NH2:36]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][CH:6]2[CH2:7][CH2:8][N:9]([CH2:12][CH:13]([CH2:14][CH2:15][NH2:16])[OH:27])[CH2:10][CH2:11]2)[cH:28][cH:29][c:30]1[Cl:31]참가 물질
4
출처 및 근거
- ORD 기록
- ord-d3cca3ef64f143c8bbae1c7b29e64896
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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